Information card for entry 2238172

Structure parameters

• Chemical name: 4-Nitro-<i>N</i>^2^-(pyridin-4-ylmethylidene)benzene-1,2-diamine
• Formula: C12 H10 N4 O2
• Calculated formula: C12 H10 N4 O2
• SMILES: c1c(N(=O)=O)ccc(N)c1/N=C/c1ccncc1
• Title of publication: 4-Nitro-<i>N</i>^2^-(pyridin-4-ylmethylidene)benzene-1,2-diamine
• Authors of publication: Liu, Guang-Lin; Sun, Jun; Zhang, Jing-Chao; Mei, Jie; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1073
• a: 21.324 ± 0.004 Å
• b: 9.148 ± 0.0018 Å
• c: 12.95 ± 0.003 Å
• α: 90°
• β: 116.36 ± 0.03°
• γ: 90°
• Cell volume: 2263.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes